#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u37 s PHE 18 N 0.00 2.99 -0.16 -0.32 0.40 -1.26 -0.94 117.98 118.69 1u37 s PHE 18 Ca 0.00 1.58 -0.04 0.00 -0.60 0.00 0.00 56.93 57.87 1u37 s PHE 18 Cb 0.00 -3.17 0.08 0.00 0.51 0.00 0.00 43.02 40.44 1u37 s PHE 18 CO 0.00 -1.01 0.24 0.21 0.70 0.00 0.00 175.22 175.36 1u37 s LYS 19 N -2.95 0.17 -1.17 0.44 2.20 -0.09 -4.95 119.74 113.39 1u37 s LYS 19 Ca 0.65 0.47 -0.19 0.00 -0.36 0.00 0.00 55.97 56.54 1u37 s LYS 19 Cb -0.21 -0.61 -0.04 0.00 -1.51 0.00 0.00 37.83 35.46 1u37 s LYS 19 CO 0.26 -0.48 1.98 -0.25 -0.36 0.00 0.00 175.35 176.50 1u37 n ASP 20 N 5.33 3.54 -4.71 1.43 9.92 -1.26 -1.50 116.55 129.31 1u37 n ASP 20 Ca -0.05 -2.78 -0.42 0.00 -0.53 0.00 0.00 54.79 51.00 1u37 n ASP 20 Cb 0.50 -1.53 -0.03 0.00 -0.64 0.00 0.00 41.12 39.42 1u37 n ASP 20 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1u37 s VAL 21 N 5.46 2.83 -0.33 2.53 1.01 -0.25 -4.83 120.40 126.82 1u37 s VAL 21 Ca 0.56 0.50 0.03 0.00 0.00 0.00 0.00 61.98 63.07 1u37 s VAL 21 Cb 0.09 -3.32 0.09 0.00 0.00 0.00 0.00 36.38 33.24 1u37 s VAL 21 CO 0.05 0.02 0.03 0.12 0.00 0.00 0.00 175.10 175.33 1u37 s PHE 22 N 1.69 3.60 -0.50 5.22 2.19 -1.23 -0.49 117.98 128.46 1u37 s PHE 22 Ca 0.71 -2.71 -0.16 0.00 0.33 0.00 0.00 56.93 55.10 1u37 s PHE 22 Cb -0.42 -2.69 0.09 0.00 -1.31 0.00 0.00 43.02 38.70 1u37 s PHE 22 CO 0.31 -0.93 0.47 0.42 1.83 0.00 0.00 175.22 177.33 1u37 s ILE 23 N 1.00 5.16 -0.14 3.12 -1.09 -0.69 -4.72 121.20 123.85 1u37 s ILE 23 Ca 0.05 -1.13 -0.18 0.00 -2.23 0.00 0.00 60.65 57.16 1u37 s ILE 23 Cb -0.20 -4.23 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 1u37 s ILE 23 CO -0.06 -0.73 0.48 -0.70 -1.23 0.00 0.00 174.94 172.70 1u37 s GLU 24 N 1.80 4.31 0.34 2.79 -6.30 -1.26 -0.62 118.70 119.76 1u37 s GLU 24 Ca 0.05 0.43 -0.05 0.00 -2.50 0.00 0.00 54.97 52.90 1u37 s GLU 24 Cb -0.25 -3.46 0.01 0.00 0.00 0.00 0.00 34.13 30.42 1u37 s GLU 24 CO 0.06 0.10 0.51 -1.59 0.02 0.00 0.00 175.26 174.36 1u37 s LYS 25 N 0.81 1.91 0.14 4.30 -2.85 -0.66 -4.85 119.74 118.56 1u37 s LYS 25 Ca 0.25 -1.68 -0.20 0.00 -1.00 0.00 0.00 55.97 53.34 1u37 s LYS 25 Cb -0.15 0.46 -0.07 0.00 -2.06 0.00 0.00 37.83 36.01 1u37 s LYS 25 CO 0.10 -0.81 0.65 -0.65 0.10 0.00 0.00 175.35 174.74 1u37 s GLN 26 N -3.05 4.25 0.01 1.78 -1.52 -1.26 -4.12 119.66 115.74 1u37 s GLN 26 Ca 0.28 0.82 -0.36 0.00 -1.95 0.00 0.00 55.36 54.15 1u37 s GLN 26 Cb -0.01 -3.09 -0.15 0.00 -0.22 0.00 0.00 33.01 29.54 1u37 s GLN 26 CO 0.18 0.53 1.57 1.63 -0.25 0.00 0.00 175.29 178.95 1u37 n LYS 27 N 1.27 1.60 -0.03 2.91 4.01 -1.26 -1.51 118.16 125.14 1u37 n LYS 27 Ca -0.06 0.58 0.00 0.00 -0.51 0.00 0.00 58.31 58.32 1u37 n LYS 27 Cb 0.51 -2.30 0.00 0.00 -0.51 0.00 0.00 35.03 32.73 1u37 n LYS 27 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1u37 n GLY 28 N 3.38 0.98 3.19 0.72 0.00 0.34 -4.86 105.19 108.94 1u37 n GLY 28 Ca 0.20 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1u37 n GLY 28 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1u37 s GLU 29 N -0.53 2.26 0.36 1.61 0.41 0.43 -4.87 118.70 118.37 1u37 s GLU 29 Ca 0.00 -0.75 -0.13 0.00 -0.41 0.00 0.00 54.97 53.69 1u37 s GLU 29 Cb 0.00 -1.89 -0.08 0.00 -1.78 0.00 0.00 34.13 30.39 1u37 s GLU 29 CO 0.00 0.27 0.75 0.96 -0.49 0.00 0.00 175.26 176.74 1u37 s ILE 30 N 0.06 4.73 0.17 -1.63 -4.36 -1.26 -3.92 121.20 114.99 1u37 s ILE 30 Ca -0.07 0.79 -0.20 0.00 -0.26 0.00 0.00 60.65 60.91 1u37 s ILE 30 Cb -0.14 -3.66 0.08 0.00 1.25 0.00 0.00 42.46 39.99 1u37 s ILE 30 CO 0.04 -0.33 1.64 0.25 0.24 0.00 0.00 174.94 176.78 1u37 h LEU 31 N 1.83 -0.67 0.00 0.37 5.85 -1.78 -3.41 115.31 117.50 1u37 h LEU 31 Ca -0.48 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1u37 h LEU 31 Cb 1.18 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.56 1u37 h LEU 31 CO 0.65 -0.23 0.00 0.61 -0.34 0.00 0.00 178.44 179.13 1u37 n GLY 32 N -1.37 0.82 3.84 3.75 0.00 -1.26 -1.58 105.19 109.38 1u37 n GLY 32 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1u37 n GLY 32 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1u37 s VAL 33 N -2.00 5.18 -0.42 1.61 -7.23 -1.26 -0.02 120.40 116.27 1u37 s VAL 33 Ca 0.00 0.65 -0.00 0.00 -1.81 0.00 0.00 61.98 60.82 1u37 s VAL 33 Cb 0.00 -3.62 0.11 0.00 0.56 0.00 0.00 36.38 33.43 1u37 s VAL 33 CO 0.00 0.57 0.18 -0.69 -0.31 0.00 0.00 175.10 174.85 1u37 s VAL 34 N -0.90 2.96 0.02 1.32 1.01 0.43 -4.95 120.40 120.28 1u37 s VAL 34 Ca 0.21 -2.33 -0.09 0.00 0.00 0.00 0.00 61.98 59.77 1u37 s VAL 34 Cb -0.15 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 1u37 s VAL 34 CO 0.10 -0.69 0.32 0.27 0.00 0.00 0.00 175.10 175.11 1u37 s ILE 35 N 0.85 5.21 0.25 2.22 -5.25 -1.25 0.24 121.20 123.46 1u37 s ILE 35 Ca 0.11 0.37 0.08 0.00 -0.99 0.00 0.00 60.65 60.22 1u37 s ILE 35 Cb -0.22 -3.60 -0.05 0.00 2.95 0.00 0.00 42.46 41.54 1u37 s ILE 35 CO -0.05 0.39 -0.13 0.68 -1.79 0.00 0.00 174.94 174.04 1u37 s VAL 36 N -1.28 1.90 -0.20 8.37 -7.23 0.10 -4.69 120.40 117.37 1u37 s VAL 36 Ca 0.28 -2.23 -0.30 0.00 -1.81 0.00 0.00 61.98 57.92 1u37 s VAL 36 Cb -0.14 -2.23 -0.07 0.00 0.56 0.00 0.00 36.38 34.51 1u37 s VAL 36 CO 0.15 -0.46 2.17 -0.62 -0.31 0.00 0.00 175.10 176.03 1u37 n GLU 37 N -0.50 1.97 -2.22 4.82 -0.58 -1.26 0.12 120.64 122.99 1u37 n GLU 37 Ca -0.07 0.58 -0.42 0.00 -0.42 0.00 0.00 57.16 56.84 1u37 n GLU 37 Cb 0.61 -3.08 -0.03 0.00 -0.57 0.00 0.00 31.44 28.37 1u37 n GLU 37 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1u37 s SER 38 N 7.49 6.87 0.00 1.62 0.15 -1.26 -4.85 113.70 123.72 1u37 s SER 38 Ca 1.00 2.22 0.00 0.00 0.70 0.00 0.00 55.95 59.87 1u37 s SER 38 Cb -0.44 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.30 1u37 s SER 38 CO 0.39 -0.65 0.42 0.61 1.20 0.00 0.00 173.24 175.21 1u37 n GLY 39 N 3.50 -0.76 3.58 9.45 0.00 -1.26 -4.22 105.19 115.47 1u37 n GLY 39 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1u37 n GLY 39 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1u37 s TRP 40 N -0.15 0.68 -1.24 1.61 -2.14 -1.26 -4.92 118.94 111.53 1u37 s TRP 40 Ca 0.00 0.61 -0.07 0.00 2.66 0.00 0.00 56.10 59.30 1u37 s TRP 40 Cb 0.00 -3.36 0.19 0.00 -3.10 0.00 0.00 33.47 27.20 1u37 s TRP 40 CO 0.00 -3.83 1.93 0.41 -2.66 0.00 0.00 176.95 172.80 1u37 n GLY 41 N -0.69 5.06 3.58 3.67 0.00 -1.26 -4.89 105.19 110.65 1u37 n GLY 41 Ca 0.11 -2.22 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 1u37 n GLY 41 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u37 s SER 42 N 0.10 -0.42 0.24 1.61 1.04 -1.26 -5.15 113.70 109.85 1u37 s SER 42 Ca 0.42 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1u37 s SER 42 Cb 0.12 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1u37 s SER 42 CO -0.01 -0.35 0.00 -0.38 0.98 0.00 0.00 173.24 173.48 1u37 n ILE 43 N 0.95 0.00 -3.55 -1.02 -0.00 -1.26 -4.61 119.36 109.87 1u37 n ILE 43 Ca -0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 62.75 62.27 1u37 n ILE 43 Cb 0.57 0.00 -0.07 0.00 -0.00 0.00 0.00 39.64 40.15 1u37 n ILE 43 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 1u37 s LEU 44 N 0.00 4.28 0.39 1.39 2.34 -1.26 -5.06 118.68 120.76 1u37 s LEU 44 Ca 0.00 0.56 -0.27 0.00 0.06 0.00 0.00 54.13 54.48 1u37 s LEU 44 Cb 0.00 -2.38 -0.10 0.00 -0.56 0.00 0.00 46.19 43.15 1u37 s LEU 44 CO 0.00 0.14 1.43 -2.16 -1.06 0.00 0.00 176.35 174.70 1u37 s PRO 45 N 0.19 4.02 0.18 1.48 0.04 -1.26 -4.79 135.00 134.85 1u37 s PRO 45 Ca 0.17 2.45 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1u37 s PRO 45 Cb -0.13 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.53 1u37 s PRO 45 CO 0.05 -0.56 0.00 -2.37 0.04 0.00 0.00 177.00 174.16 1u37 n THR 46 N 0.30 0.00 -3.57 1.26 5.66 -1.26 -4.05 114.28 112.62 1u37 n THR 46 Ca 0.02 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.87 1u37 n THR 46 Cb 0.41 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.12 1u37 n THR 46 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1u37 s VAL 47 N -1.76 0.00 -0.14 1.08 -7.23 -1.26 -4.26 120.40 106.83 1u37 s VAL 47 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1u37 s VAL 47 Cb 0.00 -1.00 0.04 0.00 0.56 0.00 0.00 36.38 35.98 1u37 s VAL 47 CO 0.00 0.00 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.11 1u37 s ILE 48 N -0.61 0.97 -0.19 -0.62 1.01 0.32 -3.06 121.20 119.02 1u37 s ILE 48 Ca -0.05 -0.46 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 1u37 s ILE 48 Cb -0.02 -1.13 -0.34 0.00 0.01 0.00 0.00 42.46 40.99 1u37 s ILE 48 CO 0.05 0.18 1.67 -0.38 0.00 0.00 0.00 174.94 176.46 1u37 n ILE 49 N 4.93 0.25 -0.32 2.92 5.41 -1.08 0.02 119.36 131.50 1u37 n ILE 49 Ca -0.11 -0.22 0.11 0.00 1.00 0.00 0.00 62.75 63.53 1u37 n ILE 49 Cb 0.49 -2.04 0.33 0.00 -0.71 0.00 0.00 39.64 37.71 1u37 n ILE 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1u37 h ALA 50 N 9.85 1.73 -2.50 -1.39 0.00 -0.55 0.94 119.26 127.35 1u37 h ALA 50 Ca 0.26 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.94 1u37 h ALA 50 Cb 0.72 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 18.23 1u37 h ALA 50 CO 1.96 -0.01 -0.62 -0.80 0.00 0.00 0.00 179.25 179.77 1u37 s ASN 51 N -5.65 0.45 -0.28 0.00 0.02 -0.85 -4.65 114.94 103.98 1u37 s ASN 51 Ca -0.11 -1.36 -0.18 0.00 -1.02 0.00 0.00 52.86 50.20 1u37 s ASN 51 Cb 0.23 0.31 0.11 0.00 0.02 0.00 0.00 41.25 41.92 1u37 s ASN 51 CO 0.80 -0.79 0.85 -0.32 0.02 0.00 0.00 177.10 177.66 1u37 s MET 52 N -4.11 0.56 -0.25 -0.60 -2.45 -1.26 -0.43 119.30 110.76 1u37 s MET 52 Ca 0.36 0.89 -0.34 0.00 -1.25 0.00 0.00 55.69 55.35 1u37 s MET 52 Cb 0.07 0.16 -0.10 0.00 1.25 0.00 0.00 34.83 36.20 1u37 s MET 52 CO 0.11 -0.10 2.09 -0.12 1.05 0.00 0.00 175.02 178.05 1u37 n MET 53 N 3.62 1.53 -1.51 4.11 1.56 0.97 -4.80 117.12 122.61 1u37 n MET 53 Ca -0.18 0.47 -0.33 0.00 -0.27 0.00 0.00 57.70 57.39 1u37 n MET 53 Cb 0.58 -2.64 -0.08 0.00 2.15 0.00 0.00 33.22 33.23 1u37 n MET 53 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1u37 n HIS 54 N 9.16 1.86 0.00 1.12 8.25 -1.26 -1.54 115.22 132.81 1u37 n HIS 54 Ca 0.33 -1.27 0.00 0.00 -0.26 0.00 0.00 57.72 56.52 1u37 n HIS 54 Cb 0.28 -2.09 0.00 0.00 1.12 0.00 0.00 29.99 29.30 1u37 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u37 n GLY 55 N 5.33 0.26 1.25 -1.41 0.00 -1.26 -5.08 105.19 104.27 1u37 n GLY 55 Ca 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.39 1u37 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u37 n GLY 56 N 0.00 -1.01 0.26 -0.02 0.00 -0.59 -4.59 105.19 99.25 1u37 n GLY 56 Ca 0.00 -1.72 0.04 0.00 0.00 0.00 0.00 46.02 44.34 1u37 n GLY 56 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u37 h PRO 57 N 0.00 0.16 -0.17 1.61 0.11 -1.76 0.62 132.00 132.58 1u37 h PRO 57 Ca -0.14 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.98 1u37 h PRO 57 Cb 0.38 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.44 1u37 h PRO 57 CO 0.10 0.11 0.04 0.00 -0.21 0.00 0.00 178.00 178.04 1u37 h ALA 58 N 1.62 0.17 0.00 -0.75 0.00 -1.61 -1.72 119.26 116.97 1u37 h ALA 58 Ca 0.38 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.24 1u37 h ALA 58 Cb 0.65 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1u37 h ALA 58 CO -0.56 -0.40 -0.36 1.49 0.00 0.00 0.00 179.25 179.43 1u37 h GLU 59 N 0.12 0.00 -0.11 0.00 4.81 -1.41 -3.12 114.58 114.86 1u37 h GLU 59 Ca 0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1u37 h GLU 59 Cb 0.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1u37 h GLU 59 CO -0.09 0.36 0.05 0.87 -0.73 0.00 0.00 179.01 179.47 1u37 h LYS 60 N 0.00 0.16 -0.54 1.92 1.57 0.10 -2.62 116.57 117.17 1u37 h LYS 60 Ca -0.00 -0.03 0.11 0.00 -1.87 0.00 0.00 60.65 58.86 1u37 h LYS 60 Cb 0.77 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 1u37 h LYS 60 CO 0.05 0.24 0.37 0.77 -0.57 0.00 0.00 179.45 180.31 1u37 h SER 61 N 0.03 0.22 0.00 0.86 0.02 -1.28 -3.45 113.55 109.95 1u37 h SER 61 Ca 0.04 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1u37 h SER 61 Cb 0.14 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1u37 h SER 61 CO -0.00 0.13 0.00 0.61 -1.14 0.00 0.00 176.83 176.43 1u37 n GLY 62 N -1.56 0.62 0.10 -3.77 0.00 -0.99 -4.86 105.19 94.74 1u37 n GLY 62 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 1u37 n GLY 62 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1u37 n LYS 63 N -2.12 0.54 -2.28 1.61 4.76 -1.26 -4.92 118.16 114.48 1u37 n LYS 63 Ca 0.00 0.28 -0.42 0.00 -2.87 0.00 0.00 58.31 55.30 1u37 n LYS 63 Cb 0.04 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.71 1u37 n LYS 63 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1u37 s LEU 64 N -7.82 4.27 -0.03 -0.35 1.43 -1.26 -5.01 118.68 109.91 1u37 s LEU 64 Ca -0.30 1.96 0.03 0.00 -1.03 0.00 0.00 54.13 54.78 1u37 s LEU 64 Cb 0.07 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.75 1u37 s LEU 64 CO 0.43 -0.75 -0.10 0.20 0.23 0.00 0.00 176.35 176.37 1u37 s ASN 65 N 2.11 1.31 -0.38 2.29 0.01 -1.26 -4.55 114.94 114.47 1u37 s ASN 65 Ca 0.61 -0.21 -0.35 0.00 -0.71 0.00 0.00 52.86 52.21 1u37 s ASN 65 Cb -0.28 -0.35 -0.15 0.00 0.41 0.00 0.00 41.25 40.88 1u37 s ASN 65 CO 0.23 0.07 1.37 -0.38 -1.51 0.00 0.00 177.10 176.88 1u37 n ILE 66 N 3.28 0.00 0.00 0.60 5.41 -1.26 -0.74 119.36 126.65 1u37 n ILE 66 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 1u37 n ILE 66 Cb 0.54 -0.38 0.00 0.00 -0.71 0.00 0.00 39.64 39.09 1u37 n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u37 n GLY 67 N 4.06 0.80 3.62 7.39 0.00 0.32 -4.96 105.19 116.43 1u37 n GLY 67 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.90 1u37 n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u37 s ASP 68 N -1.49 6.71 -1.19 1.61 1.01 0.08 -4.67 116.67 118.74 1u37 s ASP 68 Ca 0.00 0.92 -0.22 0.00 0.71 0.00 0.00 52.55 53.96 1u37 s ASP 68 Cb 0.00 -2.54 -0.08 0.00 1.01 0.00 0.00 42.92 41.31 1u37 s ASP 68 CO 0.00 -1.10 1.92 1.67 0.21 0.00 0.00 175.17 177.87 1u37 n GLN 69 N 7.39 1.75 -1.64 8.23 7.27 0.22 -2.62 117.38 137.97 1u37 n GLN 69 Ca 0.13 -2.53 -0.40 0.00 0.07 0.00 0.00 57.00 54.27 1u37 n GLN 69 Cb 0.48 -3.69 0.02 0.00 2.41 0.00 0.00 30.24 29.46 1u37 n GLN 69 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1u37 n ILE 70 N 7.62 2.81 -0.05 1.69 5.41 -1.17 0.59 119.36 136.27 1u37 n ILE 70 Ca 0.45 -0.50 -0.07 0.00 1.00 0.00 0.00 62.75 63.64 1u37 n ILE 70 Cb 0.46 -1.27 -0.05 0.00 -0.71 0.00 0.00 39.64 38.08 1u37 n ILE 70 CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1u37 n MET 71 N -0.20 0.38 -3.47 0.38 1.56 -0.52 -4.10 117.12 111.15 1u37 n MET 71 Ca 0.10 0.05 -0.14 0.00 -0.27 0.00 0.00 57.70 57.44 1u37 n MET 71 Cb 0.41 -1.20 -0.04 0.00 2.15 0.00 0.00 33.22 34.55 1u37 n MET 71 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1u37 s SER 72 N -4.90 -0.56 -0.14 6.12 1.04 -0.96 0.76 113.70 115.06 1u37 s SER 72 Ca -0.13 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.49 1u37 s SER 72 Cb 0.03 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.74 1u37 s SER 72 CO 0.23 -0.84 -0.15 -0.63 0.98 0.00 0.00 173.24 172.83 1u37 s ILE 73 N -2.95 1.60 -1.18 -1.02 1.01 -0.49 -1.31 121.20 116.85 1u37 s ILE 73 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1u37 s ILE 73 Cb -0.01 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1u37 s ILE 73 CO -0.06 0.46 0.00 0.59 0.00 0.00 0.00 174.94 175.93 1u37 n ASN 74 N 4.66 -3.69 0.00 3.58 3.02 0.97 -0.08 115.26 123.72 1u37 n ASN 74 Ca -0.18 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1u37 n ASN 74 Cb 0.50 -3.26 0.00 0.00 -0.61 0.00 0.00 39.78 36.41 1u37 n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u37 n GLY 75 N -0.57 0.95 3.14 7.41 0.00 -1.24 -4.94 105.19 109.93 1u37 n GLY 75 Ca -0.14 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 1u37 n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u37 s THR 76 N -2.00 3.81 0.17 2.61 2.01 0.88 -5.07 115.64 118.06 1u37 s THR 76 Ca 0.00 -2.41 -0.32 0.00 0.31 0.00 0.00 61.69 59.27 1u37 s THR 76 Cb 0.00 -3.51 -0.12 0.00 0.01 0.00 0.00 72.50 68.88 1u37 s THR 76 CO 0.00 -0.81 1.73 -0.24 -0.69 0.00 0.00 174.62 174.61 1u37 n SER 77 N 4.15 3.86 -0.10 3.53 2.88 -1.26 -1.40 113.62 125.29 1u37 n SER 77 Ca 0.02 1.04 0.11 0.00 -1.33 0.00 0.00 58.87 58.71 1u37 n SER 77 Cb 0.40 -1.54 -0.04 0.00 -0.75 0.00 0.00 64.21 62.28 1u37 n SER 77 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1u37 n LEU 78 N 4.36 1.12 -4.59 2.46 4.77 0.23 -4.79 117.00 120.57 1u37 n LEU 78 Ca 0.17 -0.48 -0.43 0.00 -0.03 0.00 0.00 56.01 55.24 1u37 n LEU 78 Cb 0.34 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1u37 n LEU 78 CO 0.65 0.26 1.87 0.52 -1.33 0.00 0.00 177.39 179.35 1u37 n VAL 79 N -1.21 0.30 0.00 4.08 0.31 -1.24 -1.24 118.33 119.33 1u37 n VAL 79 Ca 0.05 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1u37 n VAL 79 Cb 0.36 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 30.74 1u37 n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u37 n GLY 80 N 5.83 2.84 3.76 2.92 0.00 -1.26 -5.06 105.19 114.23 1u37 n GLY 80 Ca 0.31 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.93 1u37 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u37 s LEU 81 N 0.00 4.51 1.31 0.99 1.43 -0.37 -5.03 118.68 121.52 1u37 s LEU 81 Ca 0.00 2.41 -0.22 0.00 -1.03 0.00 0.00 54.13 55.29 1u37 s LEU 81 Cb 0.00 -3.63 0.33 0.00 0.03 0.00 0.00 46.19 42.91 1u37 s LEU 81 CO 0.00 -0.27 1.06 -2.16 0.23 0.00 0.00 176.35 175.20 1u37 s PRO 82 N -1.54 -2.08 0.16 1.29 0.04 -1.26 -4.79 135.00 126.81 1u37 s PRO 82 Ca 0.46 -0.12 -0.11 0.00 0.04 0.00 0.00 61.00 61.27 1u37 s PRO 82 Cb -0.34 -1.50 0.03 0.00 0.04 0.00 0.00 34.50 32.73 1u37 s PRO 82 CO 0.45 -4.26 1.61 1.25 0.04 0.00 0.00 177.00 176.08 1u37 h LEU 83 N -2.97 0.95 -1.38 -3.56 5.85 -1.96 -2.77 115.31 109.47 1u37 h LEU 83 Ca -0.42 -0.32 0.15 0.00 0.84 0.00 0.00 57.88 58.13 1u37 h LEU 83 Cb 1.30 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 1u37 h LEU 83 CO 0.27 1.04 0.56 0.28 -0.34 0.00 0.00 178.44 180.26 1u37 h SER 84 N 0.83 0.57 0.21 1.25 0.02 -1.99 0.19 113.55 114.63 1u37 h SER 84 Ca 0.15 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1u37 h SER 84 Cb 0.57 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1u37 h SER 84 CO 0.03 0.28 -0.10 0.74 -1.14 0.00 0.00 176.83 176.65 1u37 h THR 85 N 0.60 0.80 0.33 -2.27 2.02 -1.85 -2.22 112.91 110.32 1u37 h THR 85 Ca 0.43 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 1u37 h THR 85 Cb 0.79 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1u37 h THR 85 CO -0.18 0.18 -0.28 0.00 0.37 0.00 0.00 175.52 175.61 1u37 h GLN 87 N -0.62 -0.27 -0.92 0.00 7.50 -0.76 0.50 115.11 120.53 1u37 h GLN 87 Ca -0.02 0.02 0.16 0.00 0.50 0.00 0.00 58.65 59.31 1u37 h GLN 87 Cb 0.55 0.06 -0.08 0.00 0.05 0.00 0.00 27.48 28.07 1u37 h GLN 87 CO -0.03 -0.18 0.59 1.03 -1.50 0.00 0.00 178.83 178.74 1u37 h SER 88 N -0.28 0.64 -0.29 1.46 0.87 -1.19 0.13 113.55 114.89 1u37 h SER 88 Ca 0.15 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1u37 h SER 88 Cb 0.52 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 1u37 h SER 88 CO -0.47 0.30 0.09 0.40 -0.53 0.00 0.00 176.83 176.63 1u37 h ILE 89 N 0.66 1.20 -0.76 2.23 2.04 0.29 0.33 117.51 123.51 1u37 h ILE 89 Ca 0.47 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.70 1u37 h ILE 89 Cb 0.82 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 1u37 h ILE 89 CO -0.23 0.21 0.49 0.40 0.00 0.00 0.00 178.15 179.03 1u37 h ILE 90 N 0.32 1.20 -0.15 -0.67 2.04 0.05 -1.14 117.51 119.16 1u37 h ILE 90 Ca 0.10 -0.38 -0.16 0.00 1.00 0.00 0.00 64.86 65.41 1u37 h ILE 90 Cb 0.24 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1u37 h ILE 90 CO -0.00 0.20 -0.59 0.11 0.00 0.00 0.00 178.15 177.86 1u37 h LYS 91 N 1.03 0.50 0.00 2.37 6.56 -0.57 -2.81 116.57 123.65 1u37 h LYS 91 Ca 0.28 -0.33 0.00 0.00 -1.06 0.00 0.00 60.65 59.53 1u37 h LYS 91 Cb -0.10 0.05 0.00 0.00 -0.57 0.00 0.00 32.23 31.60 1u37 h LYS 91 CO -0.06 0.94 0.00 0.41 -2.06 0.00 0.00 179.45 178.69 1u37 n GLY 92 N 0.31 -1.17 2.10 3.86 0.00 0.11 -3.51 105.19 106.90 1u37 n GLY 92 Ca -0.03 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 1u37 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u37 n LEU 93 N -1.39 6.81 -0.06 0.99 4.77 -0.53 -4.40 117.00 123.19 1u37 n LEU 93 Ca 0.08 -3.68 -0.19 0.00 -0.03 0.00 0.00 56.01 52.19 1u37 n LEU 93 Cb 0.23 -1.06 -0.13 0.00 -2.33 0.00 0.00 43.42 40.13 1u37 n LEU 93 CO 0.19 1.36 -0.12 0.11 -1.33 0.00 0.00 177.39 177.60 1u37 h LYS 94 N 1.83 0.07 -2.29 3.23 1.57 -1.67 -3.37 116.57 115.94 1u37 h LYS 94 Ca 0.39 -0.12 -0.63 0.00 -1.87 0.00 0.00 60.65 58.43 1u37 h LYS 94 Cb 0.84 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 32.79 1u37 h LYS 94 CO 1.00 1.06 -0.37 0.09 -0.57 0.00 0.00 179.45 180.66 1u37 n ASN 95 N -4.38 4.84 -0.07 0.86 3.02 -1.26 0.16 115.26 118.43 1u37 n ASN 95 Ca -0.21 -3.65 -0.09 0.00 -0.03 0.00 0.00 54.58 50.60 1u37 n ASN 95 Cb 0.66 -0.68 -0.08 0.00 -0.61 0.00 0.00 39.78 39.07 1u37 n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u37 n GLN 96 N -0.03 0.90 0.00 3.52 1.13 -1.26 -4.82 117.38 116.82 1u37 n GLN 96 Ca 0.33 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 1u37 n GLN 96 Cb 0.37 -1.31 0.00 0.00 0.11 0.00 0.00 30.24 29.41 1u37 n GLN 96 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1u37 n SER 97 N -2.80 0.00 -3.58 1.08 2.88 -1.26 -4.95 113.62 104.99 1u37 n SER 97 Ca -0.25 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.20 1u37 n SER 97 Cb 0.82 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.24 1u37 n SER 97 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u37 s ARG 98 N -0.56 0.53 -0.23 -1.46 1.70 -1.24 -1.65 118.95 116.03 1u37 s ARG 98 Ca 0.00 0.07 -0.01 0.00 -0.47 0.00 0.00 55.73 55.31 1u37 s ARG 98 Cb 0.00 0.25 0.07 0.00 -0.57 0.00 0.00 34.95 34.70 1u37 s ARG 98 CO 0.00 -0.18 0.03 0.08 -1.08 0.00 0.00 175.30 174.15 1u37 s VAL 99 N -1.39 0.91 -1.24 4.99 1.01 0.21 -4.88 120.40 120.00 1u37 s VAL 99 Ca 0.01 -0.96 -0.13 0.00 0.00 0.00 0.00 61.98 60.89 1u37 s VAL 99 Cb -0.01 -1.41 0.15 0.00 0.00 0.00 0.00 36.38 35.12 1u37 s VAL 99 CO -0.01 -0.29 1.58 0.29 0.00 0.00 0.00 175.10 176.66 1u37 n LYS 100 N 4.89 3.38 -3.77 2.72 5.02 -1.24 -1.70 118.16 127.45 1u37 n LYS 100 Ca -0.08 -3.69 -0.36 0.00 -2.02 0.00 0.00 58.31 52.16 1u37 n LYS 100 Cb 0.45 -3.08 -0.13 0.00 -0.02 0.00 0.00 35.03 32.25 1u37 n LYS 100 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1u37 s LEU 101 N 1.58 3.44 -0.52 -0.35 2.34 0.36 -0.02 118.68 125.50 1u37 s LEU 101 Ca 0.44 -0.32 -0.24 0.00 0.06 0.00 0.00 54.13 54.07 1u37 s LEU 101 Cb 0.01 -1.89 0.04 0.00 -0.56 0.00 0.00 46.19 43.78 1u37 s LEU 101 CO 0.01 -0.06 0.92 0.20 -1.06 0.00 0.00 176.35 176.36 1u37 s ASN 102 N 1.58 6.38 0.32 1.48 -0.87 -0.43 -1.09 114.94 122.31 1u37 s ASN 102 Ca 0.06 -0.23 0.06 0.00 -1.57 0.00 0.00 52.86 51.17 1u37 s ASN 102 Cb -0.15 -2.43 -0.01 0.00 -0.02 0.00 0.00 41.25 38.63 1u37 s ASN 102 CO 0.02 -1.16 0.45 0.27 -2.57 0.00 0.00 177.10 174.12 1u37 s ILE 103 N 3.83 4.31 -0.04 0.60 -4.36 -0.56 -1.43 121.20 123.54 1u37 s ILE 103 Ca 0.32 -0.98 0.05 0.00 -0.26 0.00 0.00 60.65 59.78 1u37 s ILE 103 Cb -0.12 -3.50 -0.02 0.00 1.25 0.00 0.00 42.46 40.07 1u37 s ILE 103 CO 0.21 -0.20 -0.19 -0.69 0.24 0.00 0.00 174.94 174.31 1u37 s VAL 104 N -2.15 2.64 -0.91 8.37 1.01 0.20 -0.91 120.40 128.64 1u37 s VAL 104 Ca 0.43 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.60 1u37 s VAL 104 Cb -0.09 -1.99 0.06 0.00 0.00 0.00 0.00 36.38 34.35 1u37 s VAL 104 CO 0.31 0.58 0.73 0.54 0.00 0.00 0.00 175.10 177.27